Molecule

ID:101400

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-12-5-4-8-6-9(11-7-13)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey
ZHBVXJDYCNQFSO-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc2c(c1)CCN2C
Isomeric Smiles
N1(c2c(cc(N=C=O)cc2)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0298693
LogD (pH = 7.4)
2.0307229
Log P
2.0307338
Molar Refractivity
52.8682
Polarizability
18.490955
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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